Information card for entry 4069764

Structure parameters

• Formula: C22 H35 Cl2 N3 Ni O
• Calculated formula: C22 H35 Cl2 N3 Ni O
• SMILES: [Ni]1([NH](CCN2C=1N(c1c(cc(cc1C)C)C)C=C2)C(C)(C)C)(Cl)Cl.O1CCCC1
• Title of publication: Kinetic and Thermodynamic Study ofSyn−AntiIsomerization of Nickel Complexes Bearing Amino-Linked N-Heterocyclic Carbene Ligands: The Effect of the Pendant Arm of the NHC
• Authors of publication: Huang, Yi-Ping; Tsai, Chung-Chih; Shih, Wei-Chih; Chang, Yu-Chang; Lin, Shen-Ta; Yap, Glenn P. A.; Chao, Ito; Ong, Tiow-Gan
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4316
• a: 14.8886 ± 0.0008 Å
• b: 14.1628 ± 0.0009 Å
• c: 11.5767 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2441.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No